%chk=000226049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226049

0 1
O 5.758952 -1.227218 0.466992
N 4.151236 0.278600 -0.120753
C -0.858691 -0.058007 0.252253
C -2.194590 0.230991 -0.445532
C 0.330819 0.389163 -0.608467
C -3.383934 -0.216498 0.415023
C 1.663776 0.099873 0.091209
C -4.720084 0.072330 -0.281996
C 2.851839 0.547749 -0.778623
C -5.910787 -0.374975 0.577771
C -7.243495 -0.089909 -0.111065
C 4.671435 1.309250 0.803236
C 4.748722 -0.981890 -0.175155
H -0.828525 0.454408 1.233426
H -0.777633 -1.139562 0.475730
H -2.227021 -0.281887 -1.426205
H -2.278178 1.312316 -0.668074
H 0.296817 -0.124838 -1.588897
H 0.245785 1.470887 -0.830652
H -3.302105 -1.297978 0.637634
H -3.353147 0.295849 1.396009
H 1.698922 0.613267 1.072147
H 1.747071 -0.979662 0.322919
H -4.804621 1.153262 -0.504994
H -4.753532 -0.439628 -1.262869
H 2.776796 1.636056 -1.001436
H 2.827162 0.028630 -1.763069
H -5.829273 -1.457053 0.799929
H -5.880412 0.137948 1.559013
H -7.374089 0.979582 -0.311450
H -7.322998 -0.614621 -1.069924
H -8.086923 -0.412348 0.509753
H 3.944756 1.550664 1.594268
H 4.922861 2.228703 0.250988
H 5.597950 0.940349 1.290783
H 4.268937 -1.701807 -0.854923


%chk=000226049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226049

0 1
O 6.168677 -1.054935 0.049718
N 4.221670 0.262685 -0.097645
C -0.869497 -0.012751 0.292817
C -2.216423 0.196176 -0.435224
C 0.356975 0.332320 -0.581626
C -3.442875 -0.149919 0.438900
C 1.700909 0.112490 0.148731
C -4.790832 0.050435 -0.289792
C 2.912135 0.466220 -0.746166
C -6.017096 -0.295982 0.585319
C -7.359458 -0.098834 -0.151744
C 4.640722 1.184319 0.969334
C 5.045788 -0.788230 -0.465681
H -0.850286 0.608301 1.212768
H -0.794735 -1.067881 0.628951
H -2.235852 -0.425043 -1.355232
H -2.292417 1.251486 -0.771683
H 0.332487 -0.284892 -1.504295
H 0.283327 1.389793 -0.912298
H -3.364371 -1.203763 0.779359
H -3.426899 0.474407 1.356966
H 1.719947 0.729729 1.068925
H 1.785926 -0.944336 0.470869
H -4.871862 1.103894 -0.631080
H -4.809032 -0.574796 -1.207218
H 2.831232 1.525024 -1.068846
H 2.883966 -0.154859 -1.662869
H -5.933441 -1.347345 0.929064
H -6.000509 0.331498 1.500043
H -7.479729 0.950319 -0.482220
H -7.415824 -0.741170 -1.050972
H -8.219194 -0.349325 0.496716
H 3.988468 1.100097 1.858403
H 4.616127 2.229748 0.607917
H 5.670705 0.918907 1.257963
H 4.605071 -1.391790 -1.293171


